4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one

C15H29NO — CID 62612035

IUPAC4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)C(C)C(C)C)C1
InChIInChI=1S/C15H29NO/c1-6-13-7-8-15(17)14(9-13)10-16(5)12(4)11(2)3/h11-14H,6-10H2,1-5H3
InChIKeyCYKSJWOZQNKCSL-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds5

About 4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one

4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one (PubChem CID 62612035) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
PubChem CID62612035
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)C(C)C(C)C)C1
InChIInChI=1S/C15H29NO/c1-6-13-7-8-15(17)14(9-13)10-16(5)12(4)11(2)3/h11-14H,6-10H2,1-5H3
InChIKeyCYKSJWOZQNKCSL-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one (CID 62612035) is 4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one is CCC1CCC(=O)C(CN(C)C(C)C(C)C)C1.
What is the InChIKey of 4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one?
The InChIKey is CYKSJWOZQNKCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-6-13-7-8-15(17)14(9-13)10-16(5)12(4)11(2)3/h11-14H,6-10H2,1-5H3.
What are the key properties of 4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one?
4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one has a molecular weight of 239.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62612035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).